SCHEMBL4437343

SCHEMBL4437343

O=Cc1ccc2c(c1)CCNC2C(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 3/20 0.38
HDAC1 Q13547 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PRCP P42785 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM1A O60341 4/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4430327 0.81 KDM4E (0.42) TSHRNPSR1OPRM1ALDH1A1MAPT
SCHEMBL4426746 0.77 MEN1 (0.48) NPSR1OPRM1HPGDMEN1ALDH1A1
SCHEMBL4684772 0.76 TSHR (0.38) TSHRNPSR1CA1CA2CA7
SCHEMBL28146344 0.74 TSHR (0.37) TSHRNPSR1HDAC1HPGDMEN1
SCHEMBL18351783 0.70 OPRM1 (0.41) TSHRNPSR1OPRM1PRCPMEN1
SCHEMBL4520652 0.70 KDM1A (0.45) KDM1A
SCHEMBL4507997 0.70 KDM2B (0.34) ALDH1A1KMT2A
SCHEMBL4431716 0.69 HDAC6 (0.35) OPRM1ALDH1A1MAPTKMT2A
SCHEMBL3184543 0.69 HDAC1 (0.55) HDAC1
SCHEMBL4516753 0.69 KDM2B (0.35) ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 TSHR 434/4885NPSR1 279/4885OPRM1 183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.